SCHEMBL11080323

SCHEMBL11080323

CC(C)C(=O)OC(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PRSS1 P07477 1/20 0.36
TMPRSS15 P98073 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ALOX15 P16050 1/20 0.34
FOLH1 Q04609 6/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CACNA2D1 P54289 2/20 0.32
LMNA P02545 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL726981 0.85 TP53 (0.40) TDP1SMN1; SMN2PRSS1TMPRSS15MMP1
SCHEMBL18219430 0.85 TDP1 (0.41) TDP1MMP1MMP2MMP3MMP9
SCHEMBL2180353 0.83 TP53 (0.39) TDP1SMN1; SMN2PRSS1TMPRSS15MMP1
SCHEMBL11856851 0.83 TP53 (0.39) TDP1SMN1; SMN2PRSS1TMPRSS15MMP1
SCHEMBL9245267 0.83 TDP1 (0.37) TDP1SMN1; SMN2PRSS1TMPRSS15ALOX15
SCHEMBL11855836 0.82 TP53 (0.37) TDP1SMN1; SMN2PRSS1TMPRSS15MMP1
SCHEMBL2550509 0.80 LAP3 (0.37) SMN1; SMN2PRSS1TMPRSS15SLC22A6CACNA2D1
SCHEMBL7456354 0.80 SMN1; SMN2 (0.38) TDP1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL24430 0.78 SMN1; SMN2 (0.52) TDP1SMN1; SMN2PRSS1TMPRSS15ALOX15
SCHEMBL1179759 0.78 SMN1; SMN2 (0.52) TDP1SMN1; SMN2PRSS1TMPRSS15ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460782-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1984-07-17 US disclosed